ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate

C16H25N3O2 — CID 107164465

IUPACethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC1(C)CCN(C)CC1
InChIInChI=1S/C16H25N3O2/c1-4-21-15(20)13-6-5-9-17-14(13)18-12-16(2)7-10-19(3)11-8-16/h5-6,9H,4,7-8,10-12H2,1-3H3,(H,17,18)
InChIKeyOGZSZMMQZGUEJZ-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.40
Rot. Bonds5

About ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate

ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate (PubChem CID 107164465) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate
PubChem CID107164465
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nameethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC1(C)CCN(C)CC1
InChIInChI=1S/C16H25N3O2/c1-4-21-15(20)13-6-5-9-17-14(13)18-12-16(2)7-10-19(3)11-8-16/h5-6,9H,4,7-8,10-12H2,1-3H3,(H,17,18)
InChIKeyOGZSZMMQZGUEJZ-UHFFFAOYSA-N
XLogP2.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-3-carboxylate
CID 83112699
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ethyl 2-[[4-(dimethylamino)oxan-4-yl]methylamino]pyridine-3-carboxylate
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ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate
CID 103967298
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
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ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-3-carboxylate
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ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate (CID 107164465) is ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCC1(C)CCN(C)CC1.
What is the InChIKey of ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is OGZSZMMQZGUEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-21-15(20)13-6-5-9-17-14(13)18-12-16(2)7-10-19(3)11-8-16/h5-6,9H,4,7-8,10-12H2,1-3H3,(H,17,18).
What are the key properties of ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate?
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 291.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 107164465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).